General Information of the Compound
| Compound ID |
CP0265651
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| Compound Name |
4-amino-13-(2,4-dichlorophenyl)-6-methyl-11-oxo-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene-5-carbonitrile
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| Structure |
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| Formula |
C18H12Cl2N4OS
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| Molecular Weight |
403.294
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| Canonical SMILES |
Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C18H12Cl2N4OS/c1-7-11(6-21)17(22)24-15-14-10(9-3-2-8(19)4-12(9)20)5-13(25)23-18(14)26-16(7)15/h2-4,10H,5H2,1H3,(H2,22,24)(H,23,25)
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| InChIKey |
XIQNCZJYIKIAJJ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound